Information card for entry 7041755

Structure parameters

• Formula: C29 H35 Mn2 N8 O7
• Calculated formula: C29 H35 Mn2 N8 O7
• SMILES: [Mn]1234(OCC(n5[n]1c(cc5C)C)n1[n]2c(cc1C)C)OCC(n1[n]3c(cc1C)C)n1[n]4c(cc1C)C.[Mn](C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and solution stability of water-soluble κ(2)N,κO-bis(3,5-dimethylpyrazolyl)ethanol manganese(i) tricarbonyl bromide (CORM-ONN1).
• Authors of publication: Mede, Ralf; Traber, Juliane; Klein, Moritz; Görls, Helmar; Gessner, Guido; Hoffmann, Patrick; Schmitt, Michael; Popp, Jürgen; Heinemann, Stefan H.; Neugebauer, Ute; Westerhausen, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1684 - 1693
• a: 11.6573 ± 0.0003 Å
• b: 14.7441 ± 0.0003 Å
• c: 20.6894 ± 0.0005 Å
• α: 85.371 ± 0.002°
• β: 81.709 ± 0.001°
• γ: 69.787 ± 0.001°
• Cell volume: 3300.32 ± 0.14 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No